5-[(2-oxopyrimidin-1-yl)methyl]thiophene-2-carbohydrazide

C10H10N4O2S — CID 55249100

IUPAC5-[(2-oxopyrimidin-1-yl)methyl]thiophene-2-carbohydrazide
SMILESNNC(=O)c1ccc(Cn2cccnc2=O)s1
InChIInChI=1S/C10H10N4O2S/c11-13-9(15)8-3-2-7(17-8)6-14-5-1-4-12-10(14)16/h1-5H,6,11H2,(H,13,15)
InChIKeyHPNDDEKEAWIOOF-UHFFFAOYSA-N
MW250.28 g/mol
LogP-0.04
Rot. Bonds3

About 5-[(2-oxopyrimidin-1-yl)methyl]thiophene-2-carbohydrazide

5-[(2-oxopyrimidin-1-yl)methyl]thiophene-2-carbohydrazide (PubChem CID 55249100) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is 5-[(2-oxopyrimidin-1-yl)methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-[(2-oxopyrimidin-1-yl)methyl]thiophene-2-carbohydrazide
PubChem CID55249100
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC Name5-[(2-oxopyrimidin-1-yl)methyl]thiophene-2-carbohydrazide
SMILESNNC(=O)c1ccc(Cn2cccnc2=O)s1
InChIInChI=1S/C10H10N4O2S/c11-13-9(15)8-3-2-7(17-8)6-14-5-1-4-12-10(14)16/h1-5H,6,11H2,(H,13,15)
InChIKeyHPNDDEKEAWIOOF-UHFFFAOYSA-N
XLogP-0.04
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-oxopyrimidin-1-yl)methyl]thiophene-2-carbohydrazide?
The IUPAC name of 5-[(2-oxopyrimidin-1-yl)methyl]thiophene-2-carbohydrazide (CID 55249100) is 5-[(2-oxopyrimidin-1-yl)methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 5-[(2-oxopyrimidin-1-yl)methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 5-[(2-oxopyrimidin-1-yl)methyl]thiophene-2-carbohydrazide is NNC(=O)c1ccc(Cn2cccnc2=O)s1.
What is the InChIKey of 5-[(2-oxopyrimidin-1-yl)methyl]thiophene-2-carbohydrazide?
The InChIKey is HPNDDEKEAWIOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S/c11-13-9(15)8-3-2-7(17-8)6-14-5-1-4-12-10(14)16/h1-5H,6,11H2,(H,13,15).
What are the key properties of 5-[(2-oxopyrimidin-1-yl)methyl]thiophene-2-carbohydrazide?
5-[(2-oxopyrimidin-1-yl)methyl]thiophene-2-carbohydrazide has a molecular weight of 250.28 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-oxopyrimidin-1-yl)methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 55249100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).